N-[(4-carbamimidoyl-2-chloranyl-phenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-oxidanyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-2-chloranyl-phenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-oxidanyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-chloro-phenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-hydroxy-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-chlorophenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-hydroxy-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-2-chlorophenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-hydroxypropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-chloro-benzyl)-1-[3-(2,5-dimethoxyphenyl)-2-hydroxy-propanoyl]pyrrolidine-2-carboxamide Formula: C24H29ClN4O5 MolecularWeight: 488.96386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC(C(=O)N2CCCC2C(=O)NCC3=C(C=C(C=C3)C(=N)N)Cl)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC(C(=O)N2CCCC2C(=O)NCC3=C(C=C(C=C3)C(=N)N)Cl)O

InChI

InChI=1S/C24H29ClN4O5/c1-33-17-7-8-21(34-2)16(10-17)12-20(30)24(32)29-9-3-4-19(29)23(31)28-13-15-6-5-14(22(26)27)11-18(15)25/h5-8,10-11,19-20,30H,3-4,9,12-13H2,1-2H3,(H3,26,27)(H,28,31)